ReSi2 Structure: AB2_oI6_71_a_i

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Prototype : ReSi2
AFLOW prototype label : AB2_oI6_71_a_i
Strukturbericht designation : None
Pearson symbol : oI6
Space group number : 71
Space group symbol : $\mbox{Immm}$
AFLOW prototype command : aflow --proto=AB2_oI6_71_a_i
--params=
$a$,$b/a$,$c/a$,$z_{2}$


Body-centered Orthorhombic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B_1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Re} \\ \mathbf{B}_{2} & =& z_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2}& =& z_{2} \, c \, \mathbf{\hat{z}}& \left(4i\right) & \mbox{Si} \\ \mathbf{B}_{3} & =& - z_{2} \, \mathbf{a}_{1} - z_{2} \, \mathbf{a}_{2}& =& - z_{2} \, c \, \mathbf{\hat{z}}& \left(4i\right) & \mbox{Si} \\ \end{array} \]

References

  • T. Siegrist, F. Hulliger, and G. Travaglini, The crystal structure and some properties of ReSi2, J. Less–Common Met. 92, 119–129 (1983), doi:10.1016/0022-5088(83)90233-3.

Geometry files


Prototype Generator

aflow --proto=AB2_oI6_71_a_i --params=

Species:

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